rpa_im_time.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	rpa_im_time
	Routines for low-scaling RPA/GW with imaginary time.

Functions/Subroutines
subroutine, public	rpa_im_time::create_propagator_matrix_set (propagator, ntime, matrix_template, index_to_cell)
	Creates the sector-, time-, and cell-resolved propagator matrix set.
subroutine, public	rpa_im_time::compute_mat_p_omega (mat_p_omega, fm_mo_coeff, homo, mat_p_global, matrix_s, ispin, t_3c_m, t_3c_o, t_3c_o_compressed, t_3c_o_ind, starts_array_mc, ends_array_mc, starts_array_mc_block, ends_array_mc_block, grid, e_fermi, eps_filter, alpha, eps_filter_im_time, eigenval, nmo, cut_memory, unit_nr, mp2_env, para_env, qs_env, do_kpoints_from_gamma, index_to_cell_3c, cell_to_index_3c, has_mat_p_blocks, do_ri_sos_laplace_mp2, dbcsr_time, dbcsr_nflop)
	...
subroutine, public	rpa_im_time::compute_mat_dm_global (grid, nmo, fm_mo_coeff, homo, propagator, matrix_s, ispin, eigenval, e_fermi, eps_filter, memory_info, unit_nr, jquad, do_kpoints_cubic_rpa, do_kpoints_from_gamma, qs_env, num_cells_dm, index_to_cell_dm, para_env)
	...
subroutine, public	rpa_im_time::compute_gamma_propagator (propagator, jquad, fm_mo_coeff, homo, eigenval, nmo, eps_filter, e_fermi, tau, para_env)
	Builds the Gamma-point occupied and virtual propagators.
subroutine, public	rpa_im_time::compute_transl_dm (propagator, qs_env, ispin, num_integ_points, jquad, e_fermi, tau, eps_filter, num_cells_dm, index_to_cell_dm, sector)
	...
subroutine, public	rpa_im_time::compute_periodic_dm (propagator, qs_env, ispin, num_integ_points, jquad, e_fermi, tau, sector)
	...
subroutine, public	rpa_im_time::init_cell_index_rpa (cell_grid, cell_to_index, index_to_cell, cell)
	...

Variables
integer, parameter, public	rpa_im_time::propagator_sector_occupied = 1
integer, parameter, public	rpa_im_time::propagator_sector_virtual = 2
integer, parameter, public	rpa_im_time::propagator_number_of_sectors = 2